5-bromanyl-N-[(4-butoxyphenyl)carbamothioyl]-2-methoxy-benzamide

Systemtic Name: 5-bromanyl-N-[(4-butoxyphenyl)carbamothioyl]-2-methoxy-benzamide Openeye Name: 5-bromo-N-[(4-butoxyphenyl)carbamothioyl]-2-methoxy-benzamide CAS Name: 5-bromo-N-[(4-butoxyanilino)-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: 5-bromo-N-[(4-butoxyphenyl)carbamothioyl]-2-methoxybenzamide Traditional Name: 5-bromo-N-[(4-butoxyphenyl)thiocarbamoyl]-2-methoxy-benzamide Formula: C19H21BrN2O3S MolecularWeight: 437.35064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C19H21BrN2O3S/c1-3-4-11-25-15-8-6-14(7-9-15)21-19(26)22-18(23)16-12-13(20)5-10-17(16)24-2/h5-10,12H,3-4,11H2,1-2H3,(H2,21,22,23,26)